Geometry & MOs

Info

ID:

440020

PubChem CID:

135229892

Reduced:

NOH45C66 (1)

Stoich.:

ABC45D66 (1)

Weight, g/mol:

827.318815

ΔHf, kcal/mol:

218.3

Dipole, Da:

1.06

IP(EA), eV:

 -7.98(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-phenyl-N-(4-phenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)aniline

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)N(C3=CC=C(C=C3)C4=CC5=C(C=C4)C6=CC=CC=C6C57C8=C(C9=CC=CC=C9C=C8)OC2=C7C=CC3=CC=CC=C32)C2=CC=CC(=C2)C2=CC=CC=C2)C2=CC=CC=C21)C

DOS

IR

Vibrations